methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5-propan-2-ylpyrazol-1-yl]propyl]carbamate

C16H28N4O2 — CID 118313451

IUPACmethyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5-propan-2-ylpyrazol-1-yl]propyl]carbamate
SMILESCOC(=O)NCCCn1nc([C@@H](C)NC2CC2)cc1C(C)C
InChIInChI=1S/C16H28N4O2/c1-11(2)15-10-14(12(3)18-13-6-7-13)19-20(15)9-5-8-17-16(21)22-4/h10-13,18H,5-9H2,1-4H3,(H,17,21)/t12-/m1/s1
InChIKeyQJPOJEVIBUHTAK-GFCCVEGCSA-N
MW308.43 g/mol
LogP2.57
Rot. Bonds8

About methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5-propan-2-ylpyrazol-1-yl]propyl]carbamate

methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5-propan-2-ylpyrazol-1-yl]propyl]carbamate (PubChem CID 118313451) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5-propan-2-ylpyrazol-1-yl]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5-propan-2-ylpyrazol-1-yl]propyl]carbamate
PubChem CID118313451
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Namemethyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5-propan-2-ylpyrazol-1-yl]propyl]carbamate
SMILESCOC(=O)NCCCn1nc([C@@H](C)NC2CC2)cc1C(C)C
InChIInChI=1S/C16H28N4O2/c1-11(2)15-10-14(12(3)18-13-6-7-13)19-20(15)9-5-8-17-16(21)22-4/h10-13,18H,5-9H2,1-4H3,(H,17,21)/t12-/m1/s1
InChIKeyQJPOJEVIBUHTAK-GFCCVEGCSA-N
XLogP2.57
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5-propan-2-ylpyrazol-1-yl]propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-cyclohexylcarbamate
CID 44589815
ethyl (2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)carbamate
CID 71807721
N-[(5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl]cyclopropanecarboxamide
CID 71808534
N-((5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl)cyclobutanecarboxamide
CID 71808537
N-((1-cyclopentyl-5-cyclopropyl-1H-pyrazol-3-yl)methyl)propionamide
CID 71808660
N-[(1-cyclopentyl-5-cyclopropyl-1H-pyrazol-3-yl)methyl]cyclopropanecarboxamide
CID 71808662
N-[(1-cyclopentyl-5-cyclopropyl-1H-pyrazol-3-yl)methyl]-2-ethoxyacetamide
CID 71808666
N-(2-(3,5-dicyclopropyl-1H-pyrazol-1-yl)ethyl)pivalamide
CID 72718776
ethyl ((5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl)carbamate
CID 71808536
N-[(5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl]-2-ethoxyacetamide
CID 71808539
1-((5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl)-3-ethylurea
CID 71808639
N-[(1-cyclopentyl-5-cyclopropyl-1H-pyrazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 71808708

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5-propan-2-ylpyrazol-1-yl]propyl]carbamate?
The IUPAC name of methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5-propan-2-ylpyrazol-1-yl]propyl]carbamate (CID 118313451) is methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5-propan-2-ylpyrazol-1-yl]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5-propan-2-ylpyrazol-1-yl]propyl]carbamate?
The canonical SMILES for methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5-propan-2-ylpyrazol-1-yl]propyl]carbamate is COC(=O)NCCCn1nc([C@@H](C)NC2CC2)cc1C(C)C.
What is the InChIKey of methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5-propan-2-ylpyrazol-1-yl]propyl]carbamate?
The InChIKey is QJPOJEVIBUHTAK-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-11(2)15-10-14(12(3)18-13-6-7-13)19-20(15)9-5-8-17-16(21)22-4/h10-13,18H,5-9H2,1-4H3,(H,17,21)/t12-/m1/s1.
What are the key properties of methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5-propan-2-ylpyrazol-1-yl]propyl]carbamate?
methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5-propan-2-ylpyrazol-1-yl]propyl]carbamate has a molecular weight of 308.43 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-5-propan-2-ylpyrazol-1-yl]propyl]carbamate is sourced from PubChem (CID 118313451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).